3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol

C12H14ClFO — CID 64513208

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol
SMILESOC1CCC(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C12H14ClFO/c13-11-2-1-3-12(14)10(11)7-8-4-5-9(15)6-8/h1-3,8-9,15H,4-7H2
InChIKeyBGGMNCGHDCCWTG-UHFFFAOYSA-N
MW228.69 g/mol
LogP3.18
Rot. Bonds2

About 3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol

3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol (PubChem CID 64513208) has the molecular formula C12H14ClFO and a molecular weight of 228.69 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol
PubChem CID64513208
Molecular FormulaC12H14ClFO
Molecular Weight228.69 g/mol
Exact Mass228.07
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol
SMILESOC1CCC(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C12H14ClFO/c13-11-2-1-3-12(14)10(11)7-8-4-5-9(15)6-8/h1-3,8-9,15H,4-7H2
InChIKeyBGGMNCGHDCCWTG-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.69
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,3-dichlorophenyl)methyl]cyclopentan-1-ol
CID 107310340
2-[(2-chloro-6-fluorophenyl)methyl]oxirane
CID 87314733
3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol
CID 103050503
2-[(2-chloro-6-fluorophenyl)methyl]cyclobutan-1-amine
CID 81014810
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
1-[3-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]piperidin-2-one
CID 69466460
2-[(2-chloro-6-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81021366
1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene
CID 64907735
2-[(3-bromo-2-methylcyclopentyl)methyl]-1-chloro-3-fluorobenzene
CID 64909046
4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 71165661
N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 61011641

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol (CID 64513208) is 3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol is OC1CCC(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol?
The InChIKey is BGGMNCGHDCCWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO/c13-11-2-1-3-12(14)10(11)7-8-4-5-9(15)6-8/h1-3,8-9,15H,4-7H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol?
3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol has a molecular weight of 228.69 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 64513208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).